Mol:FL3FEAGS0039
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
43 47 0 0 0 0 0 0 0 0999 V2000
4.6759 -0.9620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3767 -0.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3767 0.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6759 0.6565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9751 0.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9751 -0.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9213 0.5663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2602 -0.9701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5458 -0.5577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8314 -0.9701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8314 -1.7951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5458 -2.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2602 -1.7951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1063 -0.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3812 -0.9701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3812 -1.8075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1063 -2.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5458 -2.7504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1063 -2.8400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3043 -0.5744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3088 -0.0665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8553 -0.8567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9732 -0.6281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0978 -0.8809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5512 -0.0905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4333 -0.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8253 0.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4704 0.2820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5847 1.7971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4056 2.1926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0905 1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2551 0.4414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4343 0.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7492 0.9009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5450 -1.3662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7271 2.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1890 2.8400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8471 1.8164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.9213 0.4201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8875 -0.4005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5790 -0.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1847 -2.3440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9737 -1.8884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 7 1 0 0 0 0
6 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 8 2 0 0 0 0
10 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 11 1 0 0 0 0
12 18 2 0 0 0 0
17 19 1 0 0 0 0
15 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
20 24 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 1 0 0 0
32 31 1 1 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 29 1 0 0 0 0
28 33 1 0 0 0 0
23 35 1 0 0 0 0
29 36 1 0 0 0 0
30 37 1 0 0 0 0
31 38 1 0 0 0 0
32 39 1 0 0 0 0
21 40 1 0 0 0 0
22 41 1 0 0 0 0
42 43 1 0 0 0 0
16 42 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 42 43
M SBL 1 1 47
M SMT 1 ^OCH3
M SBV 1 47 0.5659 0.5365
S SKP 5
ID FL3FEAGS0039
FORMULA C28H32O15
EXACTMASS 608.174120354
AVERAGEMASS 608.54468
SMILES c(c(OC(C(O)4)OC(COC(O5)C(C(C(O)C(C)5)O)O)C(O)C(O)4)3)c(c(c(O)c3OC)2)OC(=CC2=O)c(c1)ccc(c1)O
M END
